NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 P 4.4064 0.0000 0.0000 62.2136 33.1864 178.6202 33 A 4.2916 7.7976 121.2456 54.0828 18.7192 177.9339 *34 Y 4.2882 8.7073 114.4048 58.4169 38.1545 179.2399 35 E 4.7551 7.5286 116.5133 57.2121 30.5835 176.0743 36 E 4.1888 7.8950 119.2573 56.1449 30.2767 177.0641 37 A 5.0444 8.4553 127.6075 51.4381 19.6506 175.0593 38 E 4.9958 8.4772 121.6163 55.4680 32.5435 176.9770 39 I 4.2917 6.3359 123.3852 60.2758 37.9372 175.6826 40 T 4.4575 8.4994 116.0572 61.1221 70.1499 173.9236 41 K 4.4523 7.1745 121.2261 55.6494 35.6904 173.6783 42 V 4.3908 8.9203 126.6990 60.9811 33.7795 174.7109 43 G 3.8749 8.0607 113.9853 44.1740 0.0000 170.8819 44 A 5.0731 7.6016 119.4361 50.2442 22.8242 174.7126 45 Y 4.9493 9.1195 117.8748 56.3819 42.0911 174.2620 46 H 5.0409 9.0883 123.2298 54.9096 31.4750 173.4545 47 R 5.1711 8.5445 126.4118 54.5675 32.2290 174.7892 48 F 4.9332 8.3084 119.8331 55.7345 41.6157 173.1264 49 Y 4.9006 8.6750 118.0316 57.5634 39.1843 174.7166 50 S 4.9235 8.9251 117.0886 56.5880 64.3883 174.6965 51 G 3.7799 8.8061 112.1892 47.7777 0.0000 173.9901 52 D 4.6530 8.3897 121.0875 54.1882 42.1063 175.5536 53 K 4.9077 8.3978 121.0702 54.6729 34.4885 175.6493 54 D 4.4430 9.1841 124.7635 53.9307 41.4248 176.8076 55 A 4.0717 8.9164 129.8466 55.3699 18.6198 178.4068 56 I 4.0110 8.0469 115.9129 63.2594 37.4571 176.9282 57 T 4.3043 8.0297 108.2478 60.5260 70.3330 175.5686 58 G 3.9068 8.5299 109.2868 45.4631 0.0000 173.0054 59 E 4.6336 7.6637 119.1175 54.5208 32.0182 175.3755 60 N 4.9100 8.5068 119.4293 53.6659 39.3409 175.4520 61 I 3.9449 8.7657 124.4040 61.4290 38.5721 175.1765 62 V 4.6095 8.2384 124.9085 61.0248 33.9347 174.2028 63 A 4.7310 8.0188 128.3446 50.0570 23.0002 174.0979 64 E 5.1715 8.2474 115.3093 54.9726 32.8896 174.6706 65 K 4.6049 9.0063 121.2739 54.4308 35.0065 175.1066 66 E 3.6478 8.5608 126.3604 55.6442 30.1637 176.2684 67 L 4.2709 8.1154 127.1086 54.3996 42.7932 176.7441 68 D 4.7716 8.7117 122.2457 54.5757 42.0104 175.6743 69 R 5.2698 8.4238 117.1194 54.8740 32.9775 174.1430 70 T 4.6868 8.5975 110.4593 59.9939 71.9799 172.4058 71 N 5.3556 8.6360 120.0952 51.5078 42.2206 173.7218 72 N 4.8057 9.2740 120.6898 52.1476 41.8809 172.8331 73 I 4.8148 8.4245 127.4004 59.7709 39.3877 175.4521 74 D 4.6471 9.5745 128.9745 52.6966 41.1120 176.8523 75 S 4.2397 8.6791 120.6323 61.1587 62.9545 176.1310 76 E 3.8474 8.2159 118.1357 59.2750 29.1606 177.4353 77 H 4.5683 8.0373 112.3101 54.5867 29.6999 174.6387 78 G 2.2142 7.2532 107.2515 45.5883 0.0000 174.1367 79 V 4.9741 7.9274 118.2054 60.8015 34.9748 174.3856 80 A 5.1826 9.7882 131.0618 50.5789 21.1354 174.8610 81 T 5.2720 8.8585 112.5478 60.5035 72.1325 173.4064 82 A 4.8430 8.6577 123.8339 50.3260 23.2754 175.0340 83 V 4.4632 8.0137 120.6488 61.0137 34.1856 174.4339 84 F 5.6054 8.9604 126.9252 56.0403 41.8966 174.8107 85 T 5.1648 8.8666 111.2889 60.0549 72.6210 172.6005 86 I 4.5879 8.2441 123.4153 59.2786 38.0970 174.3089 87 P 4.3321 0.0000 0.0000 62.4154 31.8579 176.0531 88 A 4.1928 8.3632 122.7285 51.5291 19.0327 177.4492 89 A 4.0571 8.4865 122.3971 52.9295 19.0004 177.5431 90 G 4.2446 9.0641 109.8981 44.4268 0.0000 173.1373 91 G 3.8071 7.5885 104.6391 47.8148 0.0000 174.7638 92 K 4.5555 7.9543 118.7153 55.0162 33.3220 176.3267 93 F 4.8366 8.1395 123.3575 56.5655 39.6266 175.0185 94 T 4.4789 7.6910 118.9346 60.4249 71.3180 174.9745 95 E 3.6744 8.3674 121.0919 59.1337 29.3788 178.5138 96 A 3.8923 7.6996 119.6663 55.1704 18.7897 178.7877 97 E 3.8501 7.9937 117.7210 59.1844 29.4652 179.1058 98 R 3.7001 7.4953 118.0465 59.0215 29.8750 178.5248 99 A 4.1170 7.5081 118.6145 53.8189 18.4511 178.6564 100 K 4.2954 7.6331 115.4812 55.5755 32.9232 177.2136 101 V 3.6234 6.8761 120.3393 62.8740 32.1816 175.1413 102 S 4.7071 8.4283 119.9518 56.7483 65.5303 174.7453 103 L 4.2558 8.8395 127.1001 57.7715 41.5881 179.3390 104 S 4.5283 7.9262 112.0358 60.6431 63.5285 174.4100 105 N 5.2452 7.9591 118.8025 52.9038 39.0386 173.0922 106 L 4.9168 9.1307 124.0964 53.0134 46.3932 175.8096 107 V 4.6387 8.4368 125.5624 61.6252 32.7889 174.7220 108 V 4.7674 8.5924 127.8402 61.1373 34.2628 173.6656 109 Y 5.1850 8.7093 124.4318 55.3486 41.6819 174.4639 110 V 4.9339 7.5967 111.6220 58.5125 35.9740 174.5446 111 N 4.8799 8.3536 119.7863 51.9686 40.7078 174.5471 112 V 4.7459 7.9561 114.9026 58.8685 35.7682 175.3817 113 S 4.2594 8.4167 117.5612 58.9649 63.9676 174.8759 114 T 3.9303 8.4471 118.9381 65.4481 68.4735 174.4500 115 A 3.7120 8.8444 127.1350 52.2418 16.4917 177.4494 116 A 4.3799 7.9034 121.5114 52.3975 19.5362 178.2108 117 R 4.7220 8.2556 117.0112 54.2393 33.1844 175.5064 118 V 4.7495 8.3807 121.3082 61.1957 33.5243 174.9867 119 T 4.7507 9.0199 124.2957 61.0443 71.3555 171.8044 120 P 4.3520 0.0000 0.0000 62.5118 32.1802 175.8762 121 L 4.6100 8.3418 123.1785 52.7753 45.3766 175.7043 122 D 4.3822 9.4661 116.9836 55.6142 38.3889 174.7692 123 G 3.8307 8.3394 102.4058 46.2534 0.0000 174.7648 124 S 3.7405 7.7230 115.8861 57.2696 63.1667 172.8326 125 P 4.3505 0.0000 0.0000 62.4065 32.0215 176.9718 126 K 4.1596 8.2135 120.6013 54.5478 32.2414 177.9880 127 F 4.7483 8.3143 119.6805 58.5539 39.5328 176.4197 128 G 4.1013 9.7648 112.1979 45.2843 0.0000 173.7581 129 V 4.6505 7.3157 111.8335 58.4155 36.0415 173.2563 130 P 4.7560 0.0000 0.0000 63.2760 31.8455 175.4470 131 A 4.5542 8.9209 124.2495 51.0132 23.5992 174.8438 132 D 4.8783 8.5935 119.3356 53.5059 40.1046 175.5477 133 W 4.8543 9.3932 127.3709 56.7070 30.0183 178.7359 134 T 4.1561 8.6142 113.0177 63.6124 68.4016 174.0545 135 R 4.7528 7.0900 115.1202 53.4154 32.5918 174.6068 136 E 4.5486 8.5281 116.4170 57.1875 30.4173 175.7977 137 H 5.0369 9.2554 116.9137 54.1754 33.5701 172.5224 138 K 5.3545 8.4600 119.9520 55.1043 35.5082 174.9100 139 Y 5.1171 9.0124 119.4992 56.5119 42.9921 173.9472 140 S 5.2027 9.5137 118.0522 57.2007 64.4524 173.8044 141 V 5.0068 9.1586 128.0897 60.6824 34.5330 173.9203 *143 A 4.4662 8.2859 120.9858 51.4818 19.5597 177.8545 144 A 3.9170 8.8549 121.8422 55.0894 18.4217 178.4793 145 D 4.5976 8.0789 113.2289 53.3188 39.6922 177.5213 146 G 3.9453 8.4042 108.8079 45.5153 0.0000 173.8439 147 T 4.1306 8.3490 117.7396 63.4347 68.7961 174.0908 148 K 4.9329 8.7027 125.9642 54.6223 34.4659 175.7307 149 K 4.6467 9.1499 124.9985 54.6805 35.4858 174.9857 150 I 4.7031 8.2740 127.5752 60.6568 38.9914 174.6309 151 W 5.1316 9.5724 126.3594 55.2423 32.8051 174.3215 152 T 5.2394 9.3368 121.6732 61.9917 70.5619 173.6111 153 V 5.1200 9.3484 126.8391 61.2661 34.2225 174.2345 154 K 5.1439 9.1083 127.6886 54.7620 34.8774 175.7809 155 V 5.1856 8.7945 117.6733 59.7599 35.2337 174.9787 156 T 4.8501 8.6681 113.0819 59.8555 72.7347 172.1646 157 L 5.1230 8.5775 124.2202 53.4489 44.1682 174.7855 158 N 4.9379 9.0085 126.6252 52.1053 39.9164 174.9204 159 K 4.1175 8.4119 124.7142 57.5297 32.1598 175.2533 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 32 P 0.00 4.41 0.00 2.01 2.12 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 33 A 7.80 4.29 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *34 Y 8.71 4.29 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.53 4.76 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 36 E 7.90 4.19 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 37 A 8.46 5.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.48 5.00 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 39 I 6.34 4.29 0.56 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.36 0.43 0.00 0.00 40 T 8.50 4.46 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 41 K 7.17 4.45 0.00 1.72 1.51 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 1.29 7.81 42 V 8.92 4.39 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.74 0.00 0.00 43 G 8.06 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.60 5.07 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.12 4.95 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.09 5.04 0.00 3.30 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.54 5.17 0.00 1.75 1.68 0.00 3.14 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.41 0.00 48 F 8.31 4.93 0.00 3.13 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.67 4.90 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.93 4.92 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.39 4.65 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.40 4.91 0.00 1.63 1.72 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.36 7.81 54 D 9.18 4.44 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.92 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.05 4.01 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 0.90 0.00 0.00 57 T 8.03 4.30 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 58 G 8.53 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.66 4.63 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 60 N 8.51 4.91 0.00 2.69 3.04 0.00 0.00 6.99 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.77 3.94 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.72 0.86 0.00 0.00 62 V 8.24 4.61 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.93 0.00 0.00 63 A 8.02 4.73 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.25 5.17 0.00 2.05 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 65 K 9.01 4.60 0.00 1.22 1.21 0.00 1.54 0.00 0.00 1.49 0.00 0.00 2.32 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.25 0.36 7.81 66 E 8.56 3.65 0.00 1.16 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 67 L 8.12 4.27 0.00 1.21 1.69 0.78 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.71 4.77 0.00 2.80 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.42 5.27 0.00 1.77 2.03 0.00 3.05 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 70 T 8.60 4.69 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 71 N 8.64 5.36 0.00 2.51 2.64 0.00 0.00 6.66 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.27 4.81 0.00 2.66 2.63 0.00 0.00 7.01 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.42 4.81 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 1.11 0.00 0.00 74 D 9.57 4.65 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.68 4.24 0.00 4.07 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.22 3.85 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 77 H 8.04 4.57 0.00 3.23 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.93 4.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 80 A 9.79 5.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.86 5.27 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 82 A 8.66 4.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.01 4.46 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.83 0.00 0.00 84 F 8.96 5.61 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.87 5.16 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 86 I 8.24 4.59 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 1.09 0.00 0.00 87 P 0.00 4.33 0.00 2.12 2.03 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 88 A 8.36 4.19 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.49 4.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 9.06 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.59 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.95 4.56 0.00 1.83 1.91 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.44 7.81 93 F 8.14 4.84 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.69 4.48 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 95 E 8.37 3.67 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 96 A 7.70 3.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.99 3.85 0.00 1.79 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.02 0.00 98 R 7.50 3.70 0.00 1.83 1.81 0.00 3.05 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.01 0.00 99 A 7.51 4.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.63 4.30 0.00 1.91 1.94 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.57 7.81 101 V 6.88 3.62 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.90 0.00 0.00 102 S 8.43 4.71 0.00 3.90 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.84 4.26 0.00 1.86 1.89 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.93 4.53 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.96 5.25 0.00 2.82 2.83 0.00 0.00 6.86 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.13 4.92 0.00 2.06 1.63 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.44 4.64 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.96 0.00 0.00 108 V 8.59 4.77 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 -0.37 0.00 0.00 109 Y 8.71 5.19 0.00 2.89 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.60 4.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 -0.10 0.00 0.00 111 N 8.35 4.88 0.00 2.54 2.65 0.00 0.00 6.70 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.96 4.75 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.87 0.00 0.00 113 S 8.42 4.26 0.00 3.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.45 3.93 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 115 A 8.84 3.71 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.90 4.38 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.26 4.72 0.00 1.69 1.74 0.00 3.23 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 118 V 8.38 4.75 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.97 0.00 0.00 119 T 9.02 4.75 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 120 P 0.00 4.35 0.00 1.85 1.91 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 121 L 8.34 4.61 0.00 1.50 1.46 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 122 D 9.47 4.38 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.34 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.72 3.74 0.00 3.31 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.35 0.00 2.09 1.81 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.04 0.00 126 K 8.21 4.16 0.00 1.80 1.64 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.03 7.81 127 F 8.31 4.75 0.00 3.13 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 9.76 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.32 4.65 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.05 0.00 0.00 130 P 0.00 4.76 0.00 2.00 2.12 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 131 A 8.92 4.55 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.59 4.88 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 9.39 4.85 0.00 3.54 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.61 4.16 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 135 R 7.09 4.75 0.00 1.80 1.88 0.00 3.02 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.00 136 E 8.53 4.55 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 137 H 9.26 5.04 0.00 3.08 2.90 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.46 5.35 0.00 1.62 1.68 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 139 Y 9.01 5.12 0.00 3.28 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 9.51 5.20 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 9.16 5.01 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.98 0.00 0.00 *143 A 8.29 4.47 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.85 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.08 4.60 0.00 2.83 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.40 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.35 4.13 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 148 K 8.70 4.93 0.00 1.66 1.77 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.59 7.81 149 K 9.15 4.65 0.00 1.86 1.97 0.00 1.66 0.00 0.00 2.07 0.00 0.00 2.19 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.85 1.21 7.81 150 I 8.27 4.70 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.27 0.94 0.00 0.00 151 W 9.57 5.13 0.00 3.48 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 T 9.34 5.24 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 153 V 9.35 5.12 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.25 0.00 0.00 154 K 9.11 5.14 0.00 1.80 1.76 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 155 V 8.79 5.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.13 0.00 0.00 156 T 8.67 4.85 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 157 L 8.58 5.12 0.00 1.73 1.65 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 158 N 9.01 4.94 0.00 2.75 2.72 0.00 0.00 7.08 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.41 4.12 0.00 1.87 1.73 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.24 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.